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Software

NIST/EPA/NIH MS/MS Mass Spectral Library 2014

ISBN: 978-1-118-61596-6
November 2014
NIST/EPA/NIH MS/MS Mass Spectral Library 2014 (1118615964) cover image

Description

The NIST/EPA/NIH MS/MS Mass Spectral Library 2014 software contains over 234,000 spectra of over 42,000 ions. The new MS/MS library also contains metabolites, peptides (including biologically active peptides and all di-peptides and tryptic tri-peptides), contaminants, lipids, and more.

The software and search algorithm have been significantly improved. Hit results include display of derivative precursor and addtiional MS/MS information. Small molecule searching is improved by enabling "deselect" petide scoring in library search options. Search constraints can include exact mass for either precursor or product ion, taking into account the presence or loss of an electron, adducts, or losses. Exact mass constrain also accepts uncertainty in ppm or millimass units, and allows searching for isotopic or monoisotopic peaks.

Many more improvements to the software include greater data handling (an increase of maximum number of libraries to 127 from previous edition's 16), increased maximum number of spectra to 1,048,560, alternative peak matching to improve MS/MS scoring when searching noisy MS/MS spectra.

This DVD contains the NIST/EPA/NIH MS/MS Mass spectral library in the
NIST MS Search format (NIST format, compatible with Agilent, Bruker/Varian, DANI, Jeol, Leco, and Thermo systems)

System Requirements/Recommendations:

  • Operating System: Microsoft Windows (7 SP1, 8, 8.1). Windows editions no longer under MS extended support are not officially supported by Wiley.
  • Web Browser: Internet Explorer (recommended 9 or later)
  • Memory: 2GB or greater is recommended.
  • Disc Space: 3GB minimum. Recommended 4GB free space or greater.

The DVD contains detailed installation instructions and a README.TXT file

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Related Websites / Extra

Compound Searchis a site that provides researchers with a free, rapid and easily searchable database of compounds that are covered by most commercially available spectral databases from Wiley and NIST. Users can search by name, synonym, structure, InChI, InChI key, molecular formula, nominal mass, or exact mass. The database is a concordance of Wiley's spectral databases, the NIST/EPA/NIH mass spectral library, and the Cheminform reactions database (CIRX).
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